%chk=000197544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197544

0 1
S -2.395046 -0.818760 0.934091
F 4.610928 2.796958 3.002329
F 2.544393 3.072458 2.675079
F 3.257359 1.246624 3.474919
O -3.536654 1.148269 -2.760046
O -6.884801 0.741509 0.875353
O -6.079873 -1.343402 1.058848
O -0.360042 -1.882943 -3.610892
O 1.414026 -0.107387 -1.135253
N -4.188597 -0.309982 -0.953042
N -1.018793 -0.648052 -1.793239
C -3.186894 -1.369233 -0.611128
C -3.515812 0.645741 1.233695
C -4.655161 0.505800 0.175702
C -2.411704 -1.025961 -1.919900
C -3.394076 0.195961 -2.067449
C -2.699593 1.898177 0.978986
C -3.993177 0.542988 2.664818
C -5.888727 -0.199699 0.740938
C -0.070804 -1.152960 -2.681350
C 1.372678 -0.700581 -2.458116
C 2.602755 0.455436 -0.714927
C 2.504830 0.984579 0.587338
C 3.786976 0.517952 -1.457517
C 3.633305 1.594520 1.135267
C 4.899185 1.133655 -0.874815
C 4.832783 1.673244 0.413204
C 3.525577 2.164038 2.530020
H -3.601060 -2.390903 -0.521710
H -4.971266 1.523643 -0.201419
H -2.553035 -1.783267 -2.736993
H -1.795053 1.936416 1.604165
H -2.367053 1.992503 -0.063502
H -3.271882 2.808081 1.214910
H -3.174601 0.690237 3.385206
H -4.752116 1.304739 2.896477
H -4.431766 -0.440537 2.902671
H -0.736411 -0.100986 -0.970269
H -7.739656 0.359089 1.212365
H 1.659749 0.049002 -3.220624
H 2.056426 -1.571230 -2.491356
H 1.562179 0.900081 1.129700
H 3.859521 0.103693 -2.459208
H 5.834036 1.193135 -1.436144
H 5.717244 2.147454 0.839517


%chk=000197544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197544

0 1
S -2.477414 -0.782627 1.049711
F 4.855654 3.379004 2.503103
F 2.650267 2.892121 2.754313
F 4.227290 1.442421 3.489920
O -3.434313 1.433250 -2.626481
O -7.079357 0.427387 1.048329
O -6.125802 -1.638415 0.563575
O -0.328661 -1.731459 -3.756037
O 1.470451 0.027383 -1.137867
N -4.166791 -0.201261 -0.971382
N -0.974261 -0.619872 -1.795146
C -3.202295 -1.279471 -0.649211
C -3.779850 0.661482 1.299762
C -4.855548 0.450969 0.138713
C -2.382447 -0.880794 -1.935632
C -3.360141 0.362838 -2.003907
C -3.065634 2.015197 1.095519
C -4.356275 0.538690 2.722881
C -6.048617 -0.393851 0.583385
C -0.051132 -1.062287 -2.718076
C 1.403818 -0.682779 -2.422045
C 2.719596 0.479096 -0.687485
C 2.702846 1.153539 0.554936
C 3.933806 0.296507 -1.392432
C 3.909929 1.650440 1.081962
C 5.133011 0.804250 -0.842615
C 5.136266 1.481762 0.392107
C 3.906665 2.330677 2.422130
H -3.613361 -2.293378 -0.576652
H -5.220285 1.440314 -0.184946
H -2.524814 -1.572848 -2.783859
H -2.191237 2.094841 1.763799
H -2.715774 2.145229 0.057088
H -3.756414 2.847432 1.333220
H -3.562198 0.712747 3.469475
H -5.144468 1.298312 2.879951
H -4.781587 -0.461749 2.909016
H -0.634193 -0.114774 -0.968715
H -7.843929 -0.131537 1.357492
H 1.769587 -0.039566 -3.246251
H 2.008261 -1.609795 -2.392649
H 1.753699 1.286115 1.080951
H 3.959530 -0.224871 -2.353484
H 6.071697 0.668237 -1.388865
H 6.064725 1.881190 0.809099


